SCHEMBL5517841

SCHEMBL5517841

CC(C)C(C)(C)C(=O)N1CCC(C(=O)NCCO)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PSMB11 A5LHX3 1/20 0.37
PSMA7 O14818 1/20 0.37
PSMB1 P20618 1/20 0.37
PSMA1 P25786 1/20 0.37
PSMA2 P25787 1/20 0.37
PSMA3 P25788 1/20 0.37
PSMA4 P25789 1/20 0.37
PSMB8 P28062 1/20 0.37
PSMB9 P28065 1/20 0.37
PSMA5 P28066 1/20 0.37
PSMB4 P28070 1/20 0.37
PSMB6 P28072 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5520120 0.89 HSD17B10 (0.49) HSD17B10SMN1; SMN2GAAALDH1A1MAPT
SCHEMBL11922965 0.85 LMNA (0.50) HSD17B10LMNASMN1; SMN2GAANPSR1
SCHEMBL2744883 0.83 LMNA (0.48) HSD17B10LMNASMN1; SMN2GAANPSR1
SCHEMBL5516041 0.81 SMN1; SMN2 (0.43) HSD17B10LMNASMN1; SMN2MEN1KMT2A
SCHEMBL23466442 0.80 HPGD (0.55) LMNAKMT2A
SCHEMBL5520234 0.80 KMT2A (0.42) HSD17B10LMNASMN1; SMN2MEN1KMT2A
SCHEMBL14683847 0.77 HPGD (0.51) HSD17B10LMNAMEN1KMT2AALDH1A1
SCHEMBL5512019 0.76 STS (0.42) HSD17B10LMNASMN1; SMN2MEN1KMT2A
SCHEMBL5510969 0.76 LMNA (0.53) HSD17B10LMNAGAAHRH3ALDH1A1
SCHEMBL5516154 0.75 STS (0.41) HSD17B10LMNASMN1; SMN2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed